N-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide

C20H27N3O3 — CID 2988979

IUPACN-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCCOc1ccccc1-c1noc(CCCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C20H27N3O3/c1-2-25-17-12-7-6-11-16(17)20-22-19(26-23-20)14-8-13-18(24)21-15-9-4-3-5-10-15/h6-7,11-12,15H,2-5,8-10,13-14H2,1H3,(H,21,24)
InChIKeyKKXLOKISTNMNMA-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.91
Rot. Bonds8

About N-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide

N-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 2988979) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID2988979
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCCOc1ccccc1-c1noc(CCCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C20H27N3O3/c1-2-25-17-12-7-6-11-16(17)20-22-19(26-23-20)14-8-13-18(24)21-15-9-4-3-5-10-15/h6-7,11-12,15H,2-5,8-10,13-14H2,1H3,(H,21,24)
InChIKeyKKXLOKISTNMNMA-UHFFFAOYSA-N
XLogP3.91
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 2988979) is N-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is CCOc1ccccc1-c1noc(CCCC(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is KKXLOKISTNMNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-25-17-12-7-6-11-16(17)20-22-19(26-23-20)14-8-13-18(24)21-15-9-4-3-5-10-15/h6-7,11-12,15H,2-5,8-10,13-14H2,1H3,(H,21,24).
What are the key properties of N-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 357.45 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 2988979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).